Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P05164
UPID:
PERM_HUMAN
Alternative names:
-
Alternative UPACC:
P05164; A1L4B8; Q14862; Q4PJH5; Q9UCL7
Background:
Myeloperoxidase (MPO) is a crucial component of the host defense system in polymorphonuclear leukocytes, playing a pivotal role in the microbicidal activity against a broad spectrum of organisms. MPO catalyzes the production of hypohalous acids, predominantly hypochlorous acid, enhancing the microbicidal activity of stimulated PMN. Additionally, MPO is involved in the proteolytic cleavage of alpha-1-microglobulin, which inhibits oxidation of low-density lipoprotein particles, thereby limiting vascular damage.
Therapeutic significance:
Myeloperoxidase deficiency, a disorder marked by decreased MPO activity in neutrophils and monocytes, leads to disseminated candidiasis. This condition underscores the therapeutic potential of targeting MPO pathways to treat or manage immune and inflammatory diseases, highlighting the importance of understanding MPO's role in disease mechanisms.